5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol

C11H12N2O2 — CID 115023393

IUPAC5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
SMILESCOc1cccc2c1nc1n2CCC1O
InChIInChI=1S/C11H12N2O2/c1-15-9-4-2-3-7-10(9)12-11-8(14)5-6-13(7)11/h2-4,8,14H,5-6H2,1H3
InChIKeyYSXKELVTRPOAJS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.48
Rot. Bonds1

About 5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol

5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol (PubChem CID 115023393) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
PubChem CID115023393
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
SMILESCOc1cccc2c1nc1n2CCC1O
InChIInChI=1S/C11H12N2O2/c1-15-9-4-2-3-7-10(9)12-11-8(14)5-6-13(7)11/h2-4,8,14H,5-6H2,1H3
InChIKeyYSXKELVTRPOAJS-UHFFFAOYSA-N
XLogP1.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 629434
3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258949
1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
CID 113393056
(4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine
CID 115059572
4-methoxy-1-methylbenzimidazole-2-carbaldehyde
CID 82404130
4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
CID 18316636
1-hydroxy-4-methoxybenzotriazole
CID 118386895
4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84637903
4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 135276051
(5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
CID 105469922
1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine
CID 105469893
(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
CID 50964999

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol?
The IUPAC name of 5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol (CID 115023393) is 5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol?
The canonical SMILES for 5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol is COc1cccc2c1nc1n2CCC1O.
What is the InChIKey of 5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol?
The InChIKey is YSXKELVTRPOAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-9-4-2-3-7-10(9)12-11-8(14)5-6-13(7)11/h2-4,8,14H,5-6H2,1H3.
What are the key properties of 5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol?
5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol has a molecular weight of 204.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol is sourced from PubChem (CID 115023393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).